2H-benzotriazol-5-yl-(2-ethylpiperidin-1-yl)methanone

C14H18N4O — CID 71943358

IUPAC2H-benzotriazol-5-yl-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C14H18N4O/c1-2-11-5-3-4-8-18(11)14(19)10-6-7-12-13(9-10)16-17-15-12/h6-7,9,11H,2-5,8H2,1H3,(H,15,16,17)
InChIKeyDRANREQGOBSHIW-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.36
Rot. Bonds2

About 2H-benzotriazol-5-yl-(2-ethylpiperidin-1-yl)methanone

2H-benzotriazol-5-yl-(2-ethylpiperidin-1-yl)methanone (PubChem CID 71943358) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2H-benzotriazol-5-yl-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name2H-benzotriazol-5-yl-(2-ethylpiperidin-1-yl)methanone
PubChem CID71943358
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2H-benzotriazol-5-yl-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C14H18N4O/c1-2-11-5-3-4-8-18(11)14(19)10-6-7-12-13(9-10)16-17-15-12/h6-7,9,11H,2-5,8H2,1H3,(H,15,16,17)
InChIKeyDRANREQGOBSHIW-UHFFFAOYSA-N
XLogP2.36
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazol-5-yl-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of 2H-benzotriazol-5-yl-(2-ethylpiperidin-1-yl)methanone (CID 71943358) is 2H-benzotriazol-5-yl-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for 2H-benzotriazol-5-yl-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for 2H-benzotriazol-5-yl-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1ccc2n[nH]nc2c1.
What is the InChIKey of 2H-benzotriazol-5-yl-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is DRANREQGOBSHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-11-5-3-4-8-18(11)14(19)10-6-7-12-13(9-10)16-17-15-12/h6-7,9,11H,2-5,8H2,1H3,(H,15,16,17).
What are the key properties of 2H-benzotriazol-5-yl-(2-ethylpiperidin-1-yl)methanone?
2H-benzotriazol-5-yl-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 258.32 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazol-5-yl-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 71943358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).